2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate
TL;DR: 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate (CAS 879053-64-2) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
Also Known As: ASN 14407585, 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate, VU0610341-1, 2-(2,4-Dimethylphenyl)-2-oxoethyl 1H-indole-3-propanoate, AB01303497-01
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 4.14344 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 923.7908 |
Chemical Identifiers
| CAS Number | 879053-64-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32)C |
Product Overview
2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate (CAS 879053-64-2), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate
Property Insights of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate
The XLogP value of 4.14344 indicates that 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
The CAS number of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is 879053-64-2.
What is the molecular formula of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
The molecular formula of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is C21H21NO3.
What is the molecular weight of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
The molecular weight of 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is 335.15 g/mol.
Where can I buy 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
You can request a quote for 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-dimethylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.